(2S)-2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(p-tolyl)propionamide Formula: C28H22ClN3OS MolecularWeight: 484.01178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C28H22ClN3OS/c1-18-12-14-21(15-13-18)31-27(33)19(2)34-28-24(17-30)23(22-10-6-7-11-25(22)29)16-26(32-28)20-8-4-3-5-9-20/h3-16,19H,1-2H3,(H,31,33)/t19-/m0/s1